N-(2,2-dimethoxyethyl)-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanamide

Systemtic Name: N-(2,2-dimethoxyethyl)-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-(2,2-dimethoxyethyl)-2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-(2,2-dimethoxyethyl)-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-(2,2-dimethoxyethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: N-(2,2-dimethoxyethyl)-2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CN=CC=C3)OC

Isomeric SMILES

COC(CNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CN=CC=C3)OC

InChI

InChI=1S/C20H22N4O4/c1-27-19(28-2)12-22-18(25)13-24-20(26)16-8-4-3-7-15(16)17(23-24)10-14-6-5-9-21-11-14/h3-9,11,19H,10,12-13H2,1-2H3,(H,22,25)